Geometry & MOs

Info

ID:	201885
PubChem CID:	79596464
Reduced:	BrOSC7H9 (1)
Stoich.:	ABCD7E9 (1)
Weight, g/mol:	259.112777
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	1.23
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloronaphthalen-1-yl)-2-cyclopropyl-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)(C1=CSC=C1Br)O

DOS

IR

Vibrations